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Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

C15H19N5O2 — CID 50962643

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACfuran-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESCNc1ccnc(NC2CCCN(C(=O)c3ccco3)C2)n1
InChIInChI=1S/C15H19N5O2/c1-16-13-6-7-17-15(19-13)18-11-4-2-8-20(10-11)14(21)12-5-3-9-22-12/h3,5-7,9,11H,2,4,8,10H2,1H3,(H2,16,17,18,19)
InChIKeyZPEFCLMXLVCPJN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.83
Rot. Bonds4

About Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone

Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 50962643) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound NameFuran-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID50962643
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Namefuran-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESCNc1ccnc(NC2CCCN(C(=O)c3ccco3)C2)n1
InChIInChI=1S/C15H19N5O2/c1-16-13-6-7-17-15(19-13)18-11-4-2-8-20(10-11)14(21)12-5-3-9-22-12/h3,5-7,9,11H,2,4,8,10H2,1H3,(H2,16,17,18,19)
InChIKeyZPEFCLMXLVCPJN-UHFFFAOYSA-N
XLogP1.83
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 50962643) is furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is CNc1ccnc(NC2CCCN(C(=O)c3ccco3)C2)n1.
What is the InChIKey of Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is ZPEFCLMXLVCPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-16-13-6-7-17-15(19-13)18-11-4-2-8-20(10-11)14(21)12-5-3-9-22-12/h3,5-7,9,11H,2,4,8,10H2,1H3,(H2,16,17,18,19).
What are the key properties of Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 50962643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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